Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 24.3205 7.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6460 7.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9713 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9306 6.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2240 6.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2240 5.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5494 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0132 8.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2700 8.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8699 6.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1899 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 6.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8301 6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1502 6.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2911 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6112 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9312 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2513 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5713 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2115 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5316 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1502 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5316 6.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7865 6.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0416 6.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2965 6.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5515 6.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8065 6.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4117 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6733 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9348 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1963 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4578 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7193 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9808 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7653 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5498 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5161 10.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6438 9.7911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1929 10.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0599 10.3243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6567 10.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 9.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9869 9.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7082 10.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 10.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 10.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0912 10.0549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2242 10.3029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3519 10.0743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9010 10.8552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7680 10.6075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3648 10.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3305 9.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6951 10.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8909 11.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6404 10.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8351 11.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7934 9.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9264 9.6915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0541 9.4630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6032 10.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4702 9.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0670 10.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0327 9.3005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 9.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1185 9.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3426 10.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5373 10.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9107 9.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2119 8.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5179 9.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5016 9.7268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6346 9.9747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7622 9.7462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3113 10.5271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1783 10.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7752 10.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7409 9.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1054 9.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3012 11.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 10.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2454 10.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2037 9.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3367 9.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4644 9.1349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0135 9.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8805 9.6681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4773 9.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4430 8.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8075 9.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5288 9.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7529 9.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9476 10.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 8.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6222 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 8.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9059 8.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0389 8.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1666 8.5236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7157 9.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5827 9.0568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1795 9.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 8.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 8.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 9.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 9.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6379 9.5441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6461 8.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8931 8.5464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1912 7.8812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3463 8.7609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9819 8.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0592 9.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7538 8.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4546 7.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0993 8.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 76119 1 0 0 0 0 M END > LMISSP0505CK04 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261471 > - > - > Active (generated by computational methods) > - $$$$